1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide

C13H15F2N3O3S — CID 167814311

IUPAC1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
SMILESCCN(c1ccc(O)cc1)S(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C13H15F2N3O3S/c1-2-18(10-3-5-11(19)6-4-10)22(20,21)12-7-16-17(8-12)9-13(14)15/h3-8,13,19H,2,9H2,1H3
InChIKeyAWNWFXZGRGEYNK-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.07
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide

1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide (PubChem CID 167814311) has the molecular formula C13H15F2N3O3S and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
PubChem CID167814311
Molecular FormulaC13H15F2N3O3S
Molecular Weight331.34 g/mol
Exact Mass331.08
IUPAC Name1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
SMILESCCN(c1ccc(O)cc1)S(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C13H15F2N3O3S/c1-2-18(10-3-5-11(19)6-4-10)22(20,21)12-7-16-17(8-12)9-13(14)15/h3-8,13,19H,2,9H2,1H3
InChIKeyAWNWFXZGRGEYNK-UHFFFAOYSA-N
XLogP2.07
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide (CID 167814311) is 1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide is CCN(c1ccc(O)cc1)S(=O)(=O)c1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide?
The InChIKey is AWNWFXZGRGEYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O3S/c1-2-18(10-3-5-11(19)6-4-10)22(20,21)12-7-16-17(8-12)9-13(14)15/h3-8,13,19H,2,9H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide?
1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide has a molecular weight of 331.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 167814311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).